N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

C48H29FN2O2 — CID 138716839

IUPACN-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H29FN2O2/c49-32-22-26-34(27-23-32)50-40-13-4-1-9-35(40)39-29-31(21-28-41(39)50)30-19-24-33(25-20-30)51(42-14-8-18-46-47(42)38-11-3-6-17-45(38)52-46)43-15-7-12-37-36-10-2-5-16-44(36)53-48(37)43/h1-29H
InChIKeyBSIBVBRPJRJCAT-UHFFFAOYSA-N
MW684.77 g/mol
LogP13.86
Rot. Bonds5

About N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine

N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine (PubChem CID 138716839) has the molecular formula C48H29FN2O2 and a molecular weight of 684.77 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
PubChem CID138716839
Molecular FormulaC48H29FN2O2
Molecular Weight684.77 g/mol
Exact Mass684.22
IUPAC NameN-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C48H29FN2O2/c49-32-22-26-34(27-23-32)50-40-13-4-1-9-35(40)39-29-31(21-28-41(39)50)30-19-24-33(25-20-30)51(42-14-8-18-46-47(42)38-11-3-6-17-45(38)52-46)43-15-7-12-37-36-10-2-5-16-44(36)53-48(37)43/h1-29H
InChIKeyBSIBVBRPJRJCAT-UHFFFAOYSA-N
XLogP13.86
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.77
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine (CID 138716839) is N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6oc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
The InChIKey is BSIBVBRPJRJCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29FN2O2/c49-32-22-26-34(27-23-32)50-40-13-4-1-9-35(40)39-29-31(21-28-41(39)50)30-19-24-33(25-20-30)51(42-14-8-18-46-47(42)38-11-3-6-17-45(38)52-46)43-15-7-12-37-36-10-2-5-16-44(36)53-48(37)43/h1-29H.
What are the key properties of N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine?
N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine has a molecular weight of 684.77 g/mol, XLogP of 13.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 138716839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).